N-(2,4-dimethylphenyl)-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
N-(2,4-dimethylphenyl)-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide
Compound characteristics
| Compound ID: | SD50-0030 |
| Compound Name: | N-(2,4-dimethylphenyl)-3-oxo-2-phenyl-1,2,3,4,5,6,7,8-octahydrocyclohepta[c]pyrazole-6-carboxamide |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C23 H25 N3 O2 |
| Smiles: | Cc1ccc(c(C)c1)NC(C1CCC2=C(CC1)NN(C2=O)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7772 |
| logD: | 3.4148 |
| logSw: | -3.7577 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.933 |
| InChI Key: | MOIIUJNLMSNXIT-QGZVFWFLSA-N |